# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64203712
_cell_length_b   7.29085667
_cell_length_c   49.11374452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.30599114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti42
_cell_volume   1578.10565854
_cell_formula_units_Z   42
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti1  1  0.275785  0.662370  0.278433  1
  Ti  Ti2  1  0.455519  0.014636  0.306906  1
  Ti  Ti3  1  0.231605  0.564136  0.330727  1
  Ti  Ti4  1  0.067077  0.239546  0.296201  1
  Ti  Ti5  1  0.840562  0.783250  0.315178  1
  Ti  Ti6  1  0.667976  0.443934  0.284662  1
  Ti  Ti7  1  0.623814  0.347237  0.339217  1
  Ti  Ti8  1  0.792190  0.681202  0.372564  1
  Ti  Ti9  1  0.569277  0.233581  0.394903  1
  Ti  Ti10  1  0.401900  0.901492  0.361565  1
  Ti  Ti11  1  0.178249  0.452497  0.385431  1
  Ti  Ti12  1  0.010473  0.119589  0.350488  1
  Ti  Ti13  1  0.959948  0.014004  0.406931  1
  Ti  Ti14  1  0.127466  0.346309  0.441032  1
  Ti  Ti15  1  0.906391  0.902289  0.462591  1
  Ti  Ti16  1  0.737723  0.567748  0.428699  1
  Ti  Ti17  1  0.517182  0.124788  0.450875  1
  Ti  Ti18  1  0.348675  0.790541  0.417493  1
  Ti  Ti19  1  0.296567  0.681714  0.473688  1
  Ti  Ti20  1  0.465238  0.016283  0.506804  1
  Ti  Ti21  1  0.243139  0.570267  0.529644  1
  Ti  Ti22  1  0.074467  0.235698  0.496528  1
  Ti  Ti23  1  0.854226  0.793339  0.518543  1
  Ti  Ti24  1  0.685480  0.458641  0.484790  1
  Ti  Ti25  1  0.633314  0.349692  0.540741  1
  Ti  Ti26  1  0.801982  0.684233  0.574634  1
  Ti  Ti27  1  0.579758  0.237977  0.596401  1
  Ti  Ti28  1  0.412239  0.905671  0.562300  1
  Ti  Ti29  1  0.191031  0.461439  0.585839  1
  Ti  Ti30  1  0.022524  0.127193  0.552458  1
  Ti  Ti31  1  0.970428  0.018400  0.608430  1
  Ti  Ti32  1  0.137805  0.350488  0.641767  1
  Ti  Ti33  1  0.915891  0.904744  0.664115  1
  Ti  Ti34  1  0.747515  0.570779  0.630768  1
  Ti  Ti35  1  0.529232  0.132392  0.652844  1
  Ti  Ti36  1  0.361457  0.799484  0.617901  1
  Ti  Ti37  1  0.308100  0.687844  0.672605  1
  Ti  Ti38  1  0.472629  0.012435  0.707131  1
  Ti  Ti39  1  0.263920  0.589611  0.724900  1
  Ti  Ti40  1  0.084186  0.237345  0.696426  1
  Ti  Ti41  1  0.871729  0.808046  0.718671  1
  Ti  Ti42  1  0.699144  0.468730  0.688154  1
